Sr2Pm2Tl7
Alexandria ALEXAlex-ID: agm003324907 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C7_435_spg65
Pm3Tl5 PmTl3 SrTl
2022-01-26 16:30:49.223242
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003324907).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
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# CIF generated by HEAS from Alexandria entry agm003324907
data_agm003324907
_cell_length_a 8.01449
_cell_length_b 6.37812
_cell_length_c 8.01449
_cell_angle_alpha 90.00403
_cell_angle_beta 95.69174
_cell_angle_gamma 89.99597
_cell_volume 407.66028
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Sr1 Sr 0.80745 0.50000 0.80745 1.00000
Sr2 Sr 0.19255 0.50000 0.19255 1.00000
Pm1 Pm 0.73095 0.99998 0.26905 1.00000
Pm2 Pm 0.26905 0.00002 0.73095 1.00000
Tl1 Tl 0.99979 0.25754 0.50034 1.00000
Tl2 Tl 0.50034 0.74246 0.99979 1.00000
Tl3 Tl 0.00021 0.74246 0.49966 1.00000
Tl4 Tl 0.49966 0.25754 0.00021 1.00000
Tl5 Tl 0.00000 0.00000 0.00000 1.00000
Tl6 Tl 0.50023 0.73723 0.49977 1.00000
Tl7 Tl 0.49977 0.26277 0.50023 1.00000
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